Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | CTSC | P53634 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8097235 | 0.81 | TAAR1 (0.47) | CYP2C19TAAR1RAB9AADRA2AADRA2B | |
| SCHEMBL4966557 | 0.79 | CYP2C19 (0.57) | CYP2C19TAAR1RAB9ACES2CES1 | |
| SCHEMBL6570901 | 0.78 | ALDH1A1 (0.40) | TAAR1RAB9ACES2CES1KEAP1 | |
| SCHEMBL7492708 | 0.78 | CYP2C19 (0.43) | CYP2C19TAAR1RAB9ACES2CES1 | |
| SCHEMBL9022952 | 0.76 | CYP2C19 (0.48) | CYP2C19TAAR1RAB9ACES2CES1 | |
| SCHEMBL4656251 | 0.75 | — | — | |
| SCHEMBL95274 | 0.75 | — | — | |
| SCHEMBL94449 | 0.75 | — | — | |
| SCHEMBL8360059 | 0.72 | CES2 (0.34) | CYP2C19RAB9ACES2CES1KEAP1 | |
| SCHEMBL18856429 | 0.71 | CYP2C19 (0.52) | CYP2C19TAAR1RAB9ACTSCADRA2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005037797-A1 | SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2005-04-28 | — | — | WO | claimed |
| EP-2590981-B1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA AS (DK) | 2014-09-03 | — | — | EP | disclosed |
| EP-2590981-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | Leo Pharma A/S (DK) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012003829-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA A/S (DK) | 2012-01-12 | — | — | WO | disclosed |
| US-7153847-B2 | Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds | ATHENA NEUROSCIENCES, INC. (US) | 2006-12-26 | — | — | US | disclosed |
| US-20050203080-A1 | Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds | WU JING (US) | 2005-09-15 | — | — | US | disclosed |
| US-20030153550-A1 | Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds | AUDIA JAMES E (US) | 2003-08-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050203080-A1 | Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds | BACE1, APP, BACE2 | CYP2C19 1419/4885TAAR1 4032/4885RAB9A 2465/4885 |
| US-20030153550-A1 | Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds | APP, IAPP, BACE1 | CYP2C19 3267/4885TAAR1 1870/4885RAB9A 1603/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.